3-methyl-2-methylsulfanyl-6-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one

Systemtic Name: 3-methyl-2-methylsulfanyl-6-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one Openeye Name: 3-methyl-2-methylsulfanyl-6-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one CAS Name: 3-methyl-2-(methylthio)-6-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one IUPAC Name: 3-methyl-2-methylsulfanyl-6-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one Traditional Name: 3-methyl-2-(methylthio)-6-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one Formula: C15H15N5O3S MolecularWeight: 345.3763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NCCC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])N=C1SC

Isomeric SMILES

CN1C(=O)C2=C(NCCC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])N=C1SC

InChI

InChI=1S/C15H15N5O3S/c1-19-14(21)12-13(18-15(19)24-2)16-8-7-11(17-12)9-3-5-10(6-4-9)20(22)23/h3-6,16H,7-8H2,1-2H3